Electron Density Publications

Publications in Electron Density

Explore the most influential research papers and scholarly works that have shaped Electron Density. Use the concept filter below to focus on a specific sub-area of research.

Electron Density

15.3K

Publications

1.4M

Citations

Showing yearly statistics from 2000-2026.

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	Year	Citations
Density-functional thermochemistry. III. The role of exact exchange Axel D. Becke The Journal of Chemical Physics Electron DensityChemical ThermodynamicsEngineeringPhysicsNatural Sciences	1993	101.1K
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Chengteh Lee, Weitao Yang, Robert G. Parr Physical review. B, Condensed matter Electron DensityGradient ExpansionsEngineeringPhysicsTheoretical Inorganic Chemistry	1988	98.6K
Multiwfn: A multifunctional wavefunction analyzer Tian Lu, Feiwu Chen Journal of Computational Chemistry EngineeringElectron DiffractionComputational ChemistryMultifunctional ProgramMultifunctional Wavefunction Analyzer	2011	39.7K
<i>SHELXT</i>– Integrated space-group and crystal-structure determination George M. Sheldrick Acta Crystallographica Section A Foundations and Advances X-ray CrystallographySpace Group P1Crystal StructureEngineeringComputational Chemistry	2014	27.4K
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis S. H. Vosko, L. Wilk, Marwan Nusair Canadian Journal of Physics Quantum LiquidCorrelation EnergyEngineeringMagnetic ResonanceRpa Correlation Energy	1980	20.4K
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar The Journal of Physical Chemistry B EngineeringComputational ChemistryChemistrySolution (Chemistry)Organic Solvents	2009	16.7K
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules Warren J. Hehre, R. Ditchfield, John A. Pople The Journal of Chemical Physics Electron DensityOrganic MoleculesGaussian FunctionsEngineeringPhysics	1972	15.5K
<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals P. Jeffrey Hay, Willard R. Wadt The Journal of Chemical Physics Electron DensityInnermost Core ElectronOuter Core OrbitalsEngineeringPhysics	1985	15.3K
<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg P. Jeffrey Hay, Willard R. Wadt The Journal of Chemical Physics Transition Metal ChalcogenidesElectron DensityElectronic Excited StateEngineeringPhysics	1985	13.5K
Improved methods for building protein models in electron density maps and the location of errors in these models T. Alwyn Jones, Jin-yu Zou, Sandra W. Cowan, Acta Crystallographica Section A Foundations of Crystallography Map InterpretationStructural BioinformaticsBiomolecular Structure PredictionMolecular BiologyProtein Models	1991	12.6K
From molecules to solids with the DMol3 approach B. Delley The Journal of Chemical Physics EngineeringTheoretical Inorganic ChemistryDmol3 ApproachComputational ChemistryChemistry	2000	10.7K
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules R. Ditchfield, Warren J. Hehre, John A. Pople The Journal of Chemical Physics Extended Basis SetEngineeringTheoretical Inorganic ChemistrySelf-consistent Molecular-orbital MethodsGaussian Function	1971	10.4K

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